Molecule

ID:11602

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆ClFN₂
Molecular Mass
230.7095432
Exact Mass
230.09860442
Charge
0
InChI
InChI=1S/C11H15FN2.ClH/c12-11-4-2-1-3-10(11)9-14-7-5-13-6-8-14;/h1-4,13H,5-9H2;1H
InChIKey
OXMUYUYVRLSVIX-UHFFFAOYSA-N
Canonic Smiles
Fc1ccccc1CN1CCNCC1.Cl
Isomeric Smiles
C1NCCN(C1)Cc1c(cccc1)F.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.6119115
LogD (pH = 7.4)
-0.29329848
Log P
1.5214162
Molar Refractivity
55.5725
Polarizability
21.50402
Polar Surface Area
15.27
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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